CID 165646727

2792186-69-5

Structural Information

Molecular Formula
C10H6F4O2
SMILES
C1C2=C(C=CC(=C2)C(=O)O)C(C1(F)F)(F)F
InChI
InChI=1S/C10H6F4O2/c11-9(12)4-6-3-5(8(15)16)1-2-7(6)10(9,13)14/h1-3H,4H2,(H,15,16)
InChIKey
MVAZEQSKQRKIRJ-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-3H-indene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0304 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.037676 140.8
[M+Na]+ 257.019618 152.7
[M-H]- 233.023124 140.1
[M+NH4]+ 252.064223 165.1
[M+K]+ 272.993558 148.5
[M+H-H2O]+ 217.027660 134.1
[M+HCOO]- 279.028601 158.1
[M+CH3COO]- 293.044251 187.3
[M+Na-2H]- 255.005066 144.7
[M]+ 234.02985142 136.2
[M]- 234.03094858 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.